Geometry & MOs

Info

ID:	137904
PubChem CID:	52281817
Reduced:	ClN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-130.51
Dipole, Da:	3.66
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-propylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NCC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations